N-[2-[(2-tert-butylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide

C14H22N4O — CID 75424390

IUPACN-[2-[(2-tert-butylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide
SMILESCC(C)(C)c1nccc(NCCNC(=O)C2CC2)n1
InChIInChI=1S/C14H22N4O/c1-14(2,3)13-17-7-6-11(18-13)15-8-9-16-12(19)10-4-5-10/h6-7,10H,4-5,8-9H2,1-3H3,(H,16,19)(H,15,17,18)
InChIKeyZMAVRIBXKZQKMN-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.71
Rot. Bonds5

About N-[2-[(2-tert-butylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide

N-[2-[(2-tert-butylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide (PubChem CID 75424390) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is N-[2-[(2-tert-butylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[(2-tert-butylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide
PubChem CID75424390
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC NameN-[2-[(2-tert-butylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide
SMILESCC(C)(C)c1nccc(NCCNC(=O)C2CC2)n1
InChIInChI=1S/C14H22N4O/c1-14(2,3)13-17-7-6-11(18-13)15-8-9-16-12(19)10-4-5-10/h6-7,10H,4-5,8-9H2,1-3H3,(H,16,19)(H,15,17,18)
InChIKeyZMAVRIBXKZQKMN-UHFFFAOYSA-N
XLogP1.71
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(2-tert-butylpyrimidin-4-yl)amino]ethyl]-4-chlorobenzamide
CID 133334324
N-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide
CID 115620732
N-[2-[[6-(ethylamino)pyrimidin-4-yl]amino]ethyl]cyclopropanecarboxamide
CID 113481499
2-[2-(cyclopropanecarbonylamino)ethylamino]-6-methylpyridine-4-carboxylic acid
CID 113481392
N-[2-[(6-methyl-5-nitro-2-pyridinyl)amino]ethyl]cyclopropanecarboxamide
CID 115696993
N-[2-[(2-fluoropyrimidin-4-yl)amino]ethyl]acetamide
CID 164645422
N-[2-[(3-cyano-4-methyl-2-pyridinyl)amino]ethyl]cyclopropanecarboxamide
CID 113412171
N-[2-[[2-(dimethylamino)pyrimidin-4-yl]amino]ethyl]acetamide
CID 64828497
N-[2-[(6-amino-2-ethylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide
CID 113481504
2-tert-butyl-N-(2-hydroxyethyl)pyrimidine-4-carboxamide
CID 167216038
N-[2-[4-(4-tert-butylphenoxy)butanoylamino]ethyl]cyclopropanecarboxamide
CID 51153172
N-[2-[(3-methylquinolin-1-ium-2-yl)amino]ethyl]cyclopropanecarboxamide
CID 7402612

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-tert-butylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[(2-tert-butylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide (CID 75424390) is N-[2-[(2-tert-butylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[(2-tert-butylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[(2-tert-butylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide is CC(C)(C)c1nccc(NCCNC(=O)C2CC2)n1.
What is the InChIKey of N-[2-[(2-tert-butylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide?
The InChIKey is ZMAVRIBXKZQKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-14(2,3)13-17-7-6-11(18-13)15-8-9-16-12(19)10-4-5-10/h6-7,10H,4-5,8-9H2,1-3H3,(H,16,19)(H,15,17,18).
What are the key properties of N-[2-[(2-tert-butylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide?
N-[2-[(2-tert-butylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide has a molecular weight of 262.36 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-tert-butylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 75424390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).